N-[[(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[[5-(methoxymethyl)-2-furanyl]methyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H27N3O4S/c1-28-16-20-10-9-19(29-20)15-25-12-4-5-17(14-25)13-24-30(26,27)21-8-2-6-18-7-3-11-23-22(18)21/h2-3,6-11,17,24H,4-5,12-16H2,1H3/p+1/t17-/m1/s1